Advanced Research in Quantum Chemistry and Solid State Physics with ORCA, CP2K, TRAVIS, and CP-PAW

Session

CP-PAW

Apr 8, 2022, 9:00 AM

Zoom (online)

Contribution list Timetable

22. Introduction to the CP-PAW code

Prof. Peter Bloechl

4/8/22, 9:00 AM

23. Basics of the Projector augmented wave method

Prof. Peter Bloechl

4/8/22, 9:15 AM

25. Application to Manganites and PBE0r functional

Prof. Peter Bloechl

4/8/22, 10:15 AM

26. Application of Ab-Initio Molecular Dynamics to Solvation of Mn-Ions

Mr Lukas Rump

4/8/22, 11:00 AM

27. Q & A

Mr Lukas Rump, Prof. Peter Bloechl

4/8/22, 11:45 AM

24. Break

16. CP-PAW

Prof. Peter Blöchl (Clausthal Technical University)